N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide

C16H16N2O4 — CID 2932400

IUPACN-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)16(19)17-14-10-13(18(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,17,19)
InChIKeyBJPGMFNKWVKACT-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.35
Rot. Bonds5

About N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide

N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide (PubChem CID 2932400) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
PubChem CID2932400
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)c1ccccc1
InChIInChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)16(19)17-14-10-13(18(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,17,19)
InChIKeyBJPGMFNKWVKACT-UHFFFAOYSA-N
XLogP3.35
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4'-Methoxy-3-nitrobenzanilide
CID 306529
N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 2862625
Benzenepropanamide, N-(2-methoxyphenyl)-3-nitro-beta-oxo-
CID 113058
2'-Methoxy-2-phenylacetanilide
CID 258229
Acetamide, N-(2-methoxy-5-nitrophenyl)-
CID 97239
N-(2-methoxy-5-nitrophenyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 1260384
N-(4-methoxy-3-nitrophenyl)-3,5-dimethylbenzamide
CID 2208981
N-(2-methoxy-5-nitrophenyl)-2-methylsulfanylbenzamide
CID 2227244
N-(2-methoxy-5-nitrophenyl)-2-oxopiperidine-3-carboxamide
CID 2913143
1-(2-Methoxy-5-nitroanilino)-1-oxopropan-2-yl cyclopentanecarboxylate
CID 24817078
N-(2-methoxy-5-nitrophenyl)-3-phenylpropanamide
CID 674958
2,2-Diphenyl-N-{2,2,2-trichloro-1-[3-(2-methoxy-5-nitro-phenyl)-thioureido]-ethyl}-acetamide
CID 2830344

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide (CID 2932400) is N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)c1ccccc1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
The InChIKey is BJPGMFNKWVKACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-11(12-6-4-3-5-7-12)16(19)17-14-10-13(18(20)21)8-9-15(14)22-2/h3-11H,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide?
N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide has a molecular weight of 300.31 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-phenylpropanamide is sourced from PubChem (CID 2932400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).